Image de couverture de livre

Charge control of semiconductor surfaces as elucidated by ab initio calculations a review

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Krukowski, Stanisław, Kempisty, Pawel, Strak, Pawel
Format:	Preprint
Publié:	2025
Sujets:	Materials Science
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Polarization spontaneous and piezo: fundamentals and their implementation in ab initio calculations
par: Strak, Pawel, et autres
Publié: (2024)

Hydrogen at GaN(0001) surface control of Fermi level pinning: Mg activation of p-type conductivity -- Nakamura process deciphered
par: Sakowski, Konrad, et autres
Publié: (2026)

Quantum effects in surface diffusion: application to diffusion of nitrogen adatoms over GaN(0001) surface
par: Strak, Paweł, et autres
Publié: (2025)

Macrosteps dynamics and the growth of crystals and epitaxial layers
par: Krukowski, Stanislaw, et autres
Publié: (2022)

Fundamentals of the metal contact to p-type GaN: new multilayer design
par: Sakowski, Konrad, et autres
Publié: (2025)

Surface charge induced $sp^3$-$sp^2$ transformation: new energy optimization universal mechanism of (4x4) reconstruction of stoichiometric GaN(0001) surface
par: Strak, Paweł, et autres
Publié: (2024)

Polarization doping ab initio verification of the concept charge conservation and nonlocality
par: Ahmad, Ashfaq, et autres
Publié: (2021)

Coulomb contribution to Shockley-Read-Hall (SRH) recombination
par: Sakowski, Konrad, et autres
Publié: (2023)

Augmentation of the Electron Counting Rule with Ising Model
par: Kawka, Karol, et autres
Publié: (2024)

Role of quasi-Fermi levels in Si- and Mg-related optical absorption in nitride laser diodes (LDs): material context
par: Sakowski, Konrad, et autres
Publié: (2026)

Intrinsic ductility enhancement in Mg alloys elucidated via large-scale ab-initio calculations
par: Das, Sambit, et autres
Publié: (2026)

Effect of edge dislocations on structural and electric properties of 4H-SiC
par: Łażewski, Jan, et autres
Publié: (2015)

Dynamical magnetic susceptibility of non-collinear magnets: A novel KKR-based ab initio scheme and its application
par: Eilmsteiner, David, et autres
Publié: (2026)

PyAPX: Python toolkit for atomic configuration pattern exploration
par: Kusaba, Akira, et autres
Publié: (2025)

Efficient GW calculations for metals from an accurate ab initio polarizability
par: Sesti, Giacomo, et autres
Publié: (2025)

Nanograined half-Heusler semiconductors as advanced thermoelectrics: an ab-initio high-throughput statistical study
par: Carrete, Jesús, et autres
Publié: (2014)

Pressure-dependent bandgap study of MBE grown {CdO/MgO} short period SLs using diamond anvil cell
par: Adhikari, Abinash, et autres
Publié: (2024)

Enhancing ab initio diffusion calculations in materials through Gaussian process regression
par: Fattahpour, Seyyedfaridoddin, et autres
Publié: (2023)

Accelerating the prediction of stacking fault energy by combining ab initio calculations and machine learning
par: Linda, Albert, et autres
Publié: (2024)

Insights into the adhesion and delamination strength of carbon films on metals by high-throughput ab initio calculations
par: Damiani, Elisa, et autres
Publié: (2025)

Phase stability and mechanical property trends for MAB phases by high-throughput ab initio calculations
par: Koutná, Nikola, et autres
Publié: (2024)

Exploration of stable atomic configurations in graphene-like BCN systems by Bayesian optimization
par: Hara, Taichi, et autres
Publié: (2024)

Electro-optic properties from ab initio calculations in two-dimensional materials
par: Jiang, Zhijun, et autres
Publié: (2024)

Optical properties of emeraldine salt polymers from ab initio calculations: comparison with recent experimental data
par: Colle, Renato, et autres
Publié: (2025)

Hydrogen diffusion in ceria: solid state NMR, combined scattering and spectroscopic studies, and ab initio calculations
par: Zhu, Zhichao, et autres
Publié: (2025)

DeePAW: A universal machine learning model for orbital-free ab initio calculations
par: Su, Tianhao, et autres
Publié: (2026)

\textit{Ab initio} Wannier-representation-based calculations of photocurrent in semiconductors and metals
par: Xu, Junqing, et autres
Publié: (2024)

Efficient calculation of unbiased atomic forces in ab initio Variational Monte Carlo
par: Nakano, Kousuke, et autres
Publié: (2023)

Optical lineshapes of the C-center in silicon from ab initio calculations: Interplay of localized modes and bulk phonons
par: Silkinis, Rokas, et autres
Publié: (2024)

Atomic-scale study on core-shell Cu precipitation in steels: atom probe tomography and ab initio calculations
par: Shen, Xiao, et autres
Publié: (2024)

Limited Diffusion of Silicon in GaN: A DFT Study Supported by Experimental Evidence
par: Kawka, Karol, et autres
Publié: (2025)

Comparison between first-principles supercell calculations of polarons and the ab initio polaron equations
par: Dai, Zhenbang, et autres
Publié: (2025)

Intrinsic (non)-Gilbert damping in magnetic insulators calculated from a minimal model and \textit{ab initio} spin Hamiltonians
par: Shumilin, Andrei, et autres
Publié: (2026)

Hydrogen modes in KH$_2$PO$_4$ under pressure from ab initio calculation and inelastic neutron scattering
par: Abalmasov, V. A., et autres
Publié: (2025)

Accelerating ab initio melting property calculations with machine learning: Application to the high entropy alloy TaVCrW
par: Zhu, Li-Fang, et autres
Publié: (2024)

Temperature dependence of the Gibbs energies of formation of point defects in B2 MoTa from ab initio calculations
par: Xu, Xiang, et autres
Publié: (2026)

High-pressure II-III phase transition in solid hydrogen: Insights from state-of-the-art ab initio calculations
par: Hellgren, Maria, et autres
Publié: (2022)

Magnetic properties of Cr$_8$ and V$_8$ molecular rings from ab initio calculations
par: Stocco, Elia, et autres
Publié: (2025)

Real-space methods for ab initio modelling of surfaces and interfaces under external potential bias
par: Ramakrishnan, Kartick, et autres
Publié: (2025)

Autonomous materials search using machine learning and ab initio calculations for L10-FePt-based quaternary alloys
par: Iwasaki, Yuma, et autres
Publié: (2024)